2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole

C22H26N4OS — CID 22678636

IUPAC2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole
SMILESCOc1ncccc1CN1CCC(CCc2cccnc2-c2nccs2)CC1
InChIInChI=1S/C22H26N4OS/c1-27-21-19(5-3-11-24-21)16-26-13-8-17(9-14-26)6-7-18-4-2-10-23-20(18)22-25-12-15-28-22/h2-5,10-12,15,17H,6-9,13-14,16H2,1H3
InChIKeyOWGBAVCSTJFZKM-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.45
Rot. Bonds7

About 2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole

2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole (PubChem CID 22678636) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole
PubChem CID22678636
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole
SMILESCOc1ncccc1CN1CCC(CCc2cccnc2-c2nccs2)CC1
InChIInChI=1S/C22H26N4OS/c1-27-21-19(5-3-11-24-21)16-26-13-8-17(9-14-26)6-7-18-4-2-10-23-20(18)22-25-12-15-28-22/h2-5,10-12,15,17H,6-9,13-14,16H2,1H3
InChIKeyOWGBAVCSTJFZKM-UHFFFAOYSA-N
XLogP4.45
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole (CID 22678636) is 2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole is COc1ncccc1CN1CCC(CCc2cccnc2-c2nccs2)CC1.
What is the InChIKey of 2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole?
The InChIKey is OWGBAVCSTJFZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-27-21-19(5-3-11-24-21)16-26-13-8-17(9-14-26)6-7-18-4-2-10-23-20(18)22-25-12-15-28-22/h2-5,10-12,15,17H,6-9,13-14,16H2,1H3.
What are the key properties of 2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole?
2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole has a molecular weight of 394.54 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 22678636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).